(Q104198389)

English

5-(7,24-Dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoic acid

group of stereoisomers with the chemical formula C₄₃H₅₃NO₆

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Statements

instance of

group of stereoisomers

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subclass of

2,3,6-trimethylheptane monoterpenoid

1 reference

inferred from

2,3,6-trimethylheptane monoterpenoid

1 reference

679.387288416 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₅₃NO₆

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canonical SMILES

O=C(O)C(=CC=CC1(C)C(O)CCC2(C)C1CCC3CC=4C5=CC=6C7=CC(OC(C)(C)C7C(O)C6C=8C(=O)C(C(=C)C)N(C58)C4C32C)(C)C)C

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found in taxon

Nodulisporium

1 reference

stated in

Nodulisporic acids C, C1, and C2: a series of D-ring-opened nodulisporic acids from the fungus Nodulisporium sp

Identifiers

InChI

InChI=1S/C43H53NO6/c1-21(2)33-36(47)31-30-24(27-20-39(4,5)50-40(6,7)32(27)35(30)46)19-25-26-18-23-13-14-28-41(8,16-11-12-22(3)38(48)49)29(45)15-17-42(28,9)43(23,10)37(26)44(33)34(25)31/h11-12,16,19-20,23,28-29,32-33,35,45-46H,1,13-15,17-18H2,2-10H3,(H,48,49)

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InChIKey

UNCVXXVJJXJZII-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UNCVXXVJJXJZII-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0255694

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UNCVXXVJJXJZII-UHFFFAOYSA-N

(Q104198389)

5-(7,24-Dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-2-methylpenta-2,4-dienoic acid

Statements

Identifiers

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